3-(4-ethylphenyl)-N-methylpropanehydrazide

C12H18N2O — CID 116844908

IUPAC3-(4-ethylphenyl)-N-methylpropanehydrazide
SMILESCCc1ccc(CCC(=O)N(C)N)cc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-12(15)14(2)13/h4-7H,3,8-9,13H2,1-2H3
InChIKeyUOAMWAHQACRLCZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.51
Rot. Bonds4

About 3-(4-ethylphenyl)-N-methylpropanehydrazide

3-(4-ethylphenyl)-N-methylpropanehydrazide (PubChem CID 116844908) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-methylpropanehydrazide
PubChem CID116844908
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(4-ethylphenyl)-N-methylpropanehydrazide
SMILESCCc1ccc(CCC(=O)N(C)N)cc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-12(15)14(2)13/h4-7H,3,8-9,13H2,1-2H3
InChIKeyUOAMWAHQACRLCZ-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
5-(4-ethoxyphenyl)-N-methylpentanehydrazide
CID 116845228
N-methyl-4-(4-phenylphenyl)butanehydrazide
CID 116845103
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
ethane;4-(4-ethylphenyl)butanamide
CID 142203218

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-methylpropanehydrazide?
The IUPAC name of 3-(4-ethylphenyl)-N-methylpropanehydrazide (CID 116844908) is 3-(4-ethylphenyl)-N-methylpropanehydrazide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-methylpropanehydrazide?
The canonical SMILES for 3-(4-ethylphenyl)-N-methylpropanehydrazide is CCc1ccc(CCC(=O)N(C)N)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-methylpropanehydrazide?
The InChIKey is UOAMWAHQACRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-12(15)14(2)13/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-N-methylpropanehydrazide?
3-(4-ethylphenyl)-N-methylpropanehydrazide has a molecular weight of 206.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-methylpropanehydrazide is sourced from PubChem (CID 116844908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).